5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline

C17H21NO4 — CID 39427302

IUPAC5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
SMILESCOc1cccc(OC)c1OCCOc1ccc(C)c(N)c1
InChIInChI=1S/C17H21NO4/c1-12-7-8-13(11-14(12)18)21-9-10-22-17-15(19-2)5-4-6-16(17)20-3/h4-8,11H,9-10,18H2,1-3H3
InChIKeyCGEHBDCIAFIUSI-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.05
Rot. Bonds7

About 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline

5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline (PubChem CID 39427302) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
PubChem CID39427302
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
SMILESCOc1cccc(OC)c1OCCOc1ccc(C)c(N)c1
InChIInChI=1S/C17H21NO4/c1-12-7-8-13(11-14(12)18)21-9-10-22-17-15(19-2)5-4-6-16(17)20-3/h4-8,11H,9-10,18H2,1-3H3
InChIKeyCGEHBDCIAFIUSI-UHFFFAOYSA-N
XLogP3.05
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
CID 82097295
5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
CID 82097177
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
CID 39371068
2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
CID 39399797
2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
CID 82097286
4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
CID 51142108
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline?
The IUPAC name of 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline (CID 39427302) is 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline.
What is the SMILES notation for 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline?
The canonical SMILES for 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline is COc1cccc(OC)c1OCCOc1ccc(C)c(N)c1.
What is the InChIKey of 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline?
The InChIKey is CGEHBDCIAFIUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12-7-8-13(11-14(12)18)21-9-10-22-17-15(19-2)5-4-6-16(17)20-3/h4-8,11H,9-10,18H2,1-3H3.
What are the key properties of 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline?
5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline has a molecular weight of 303.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline is sourced from PubChem (CID 39427302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).